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3PDX
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BU of 3pdx by Molmil
Crystal structural of mouse tyrosine aminotransferase
Descriptor: Tyrosine aminotransferase
Authors:Mehere, P.V, Han, Q, Lemkul, J.A, Robinson, H, Bevan, D.R, Li, J.
Deposit date:2010-10-25
Release date:2010-11-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations.
Protein Cell, 1, 2010
5WEH
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BU of 5weh by Molmil
Cytochrome c oxidase from Rhodobacter sphaeroides in the reduced state
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Aa3-type cytochrome c oxidase subunit IV, CALCIUM ION, ...
Authors:Liu, J, Ferguson-Miller, F, Ling, Q, Hiser, C.
Deposit date:2017-07-10
Release date:2017-09-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Role of conformational change and K-path ligands in controlling cytochrome c oxidase activity.
Biochem. Soc. Trans., 45, 2017
4P2X
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BU of 4p2x by Molmil
Swapped Dimer of Mycobacterial Adenylyl cyclase Rv1625c: Form 2
Descriptor: Adenylate cyclase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Barathy, D.V, Mattoo, R, Visweswariah, S.S, Suguna, K.
Deposit date:2014-03-05
Release date:2014-09-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:New structural forms of a mycobacterial adenylyl cyclase Rv1625c.
Iucrj, 1, 2014
4ARV
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BU of 4arv by Molmil
Yersinia kristensenii phytase apo form
Descriptor: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Ariza, A, Moroz, O.V, Blagova, E.B, Turkenburg, J.P, Vevodova, J, Roberts, S, Vind, J, Sjoholm, C, Lassen, S.F, De Maria, L, Glitsoe, V, Skov, L.K, Wilson, K.S.
Deposit date:2012-04-26
Release date:2013-05-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Degradation of Phytate by the 6-Phytase from Hafnia Alvei: A Combined Structural and Solution Study.
Plos One, 8, 2013
5DUH
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BU of 5duh by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-3 analog phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-3-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-18
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DXM
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BU of 5dxm by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol
Descriptor: 3-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-23
Release date:2016-05-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5YFM
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BU of 5yfm by Molmil
Human isocitrate dehydrogenase 1 bound with NADP
Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Nordlund, P, Chen, D, Jansson, A, Larsson, A.
Deposit date:2017-09-21
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human isocitrate dehydrogenase 1 bound with NADP
To Be Published
5TPI
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BU of 5tpi by Molmil
1.47 Angstrom Crystal Structure of the C-terminal Substrate Binding Domain of LysR Family Transcriptional Regulator from Klebsiella pneumoniae.
Descriptor: CHLORIDE ION, Putative transcriptional regulator (LysR family), SODIUM ION
Authors:Minasov, G, Wawrzak, Z, Sandoval, J, Evdokimova, E, Grimshaw, S, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-10-20
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:1.47 Angstrom Crystal Structure of the C-terminal Substrate Binding Domain of LysR Family Transcriptional Regulator from Klebsiella pneumoniae.
To Be Published
5Y5I
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BU of 5y5i by Molmil
Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
Authors:Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
5WHL
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BU of 5whl by Molmil
Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid
Descriptor: HYDROXYPHENYL PROPIONIC ACID, Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P, Lynch, A.J, Allen, K.N.
Deposit date:2017-07-17
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
7Y00
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BU of 7y00 by Molmil
Cryo-EM structure of the nucleosome containing 169 base-pair DNA with a p53 target sequence
Descriptor: DNA (169-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-06-03
Release date:2022-10-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structural basis for p53 binding to its nucleosomal target DNA sequence.
Pnas Nexus, 1, 2022
7XZY
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BU of 7xzy by Molmil
Cryo-EM structure of the nucleosome containing 193 base-pair DNA with a p53 target sequence
Descriptor: DNA (193-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-06-03
Release date:2022-10-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural basis for p53 binding to its nucleosomal target DNA sequence.
Pnas Nexus, 1, 2022
3URH
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BU of 3urh by Molmil
Crystal structure of a dihydrolipoamide dehydrogenase from Sinorhizobium meliloti 1021
Descriptor: 1,2-ETHANEDIOL, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-11-22
Release date:2011-12-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a dihydrolipoamide dehydrogenase from Sinorhizobium meliloti 1021
TO BE PUBLISHED
7XZZ
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BU of 7xzz by Molmil
Cryo-EM structure of the nucleosome in complex with p53
Descriptor: Cellular tumor antigen p53, DNA (169-MER), Histone H2A type 1-B/E, ...
Authors:Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-06-03
Release date:2022-10-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis for p53 binding to its nucleosomal target DNA sequence.
Pnas Nexus, 1, 2022
7XZX
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BU of 7xzx by Molmil
Cryo-EM structure of the nucleosome in complex with p53 DNA-binding domain
Descriptor: Cellular tumor antigen p53, DNA (193-MER), Histone H2A type 1-B/E, ...
Authors:Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H.
Deposit date:2022-06-03
Release date:2022-10-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.53 Å)
Cite:Structural basis for p53 binding to its nucleosomal target DNA sequence.
Pnas Nexus, 1, 2022
2W9H
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BU of 2w9h by Molmil
Wild-type Staphylococcus aureus DHFR in complex with trimethoprim
Descriptor: 1,2-ETHANEDIOL, DIHYDROFOLATE REDUCTASE, TRIMETHOPRIM
Authors:Soutter, H.H, Miller, J.R.
Deposit date:2009-01-23
Release date:2009-03-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim.
Proteins, 76, 2009
3ITJ
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BU of 3itj by Molmil
Crystal structure of Saccharomyces cerevisiae thioredoxin reductase 1 (Trr1)
Descriptor: CITRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 1
Authors:Oliveira, M.A, Discola, K.F, Alves, S.V, Medrano, F.J, Guimaraes, B.G, Netto, L.E.S.
Deposit date:2009-08-28
Release date:2010-03-31
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the specificity of thioredoxin reductase-thioredoxin interactions. A structural and functional investigation of the yeast thioredoxin system.
Biochemistry, 49, 2010
1A7A
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BU of 1a7a by Molmil
STRUCTURE OF HUMAN PLACENTAL S-ADENOSYLHOMOCYSTEINE HYDROLASE: DETERMINATION OF A 30 SELENIUM ATOM SUBSTRUCTURE FROM DATA AT A SINGLE WAVELENGTH
Descriptor: (1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-ADENOSYLHOMOCYSTEINE HYDROLASE
Authors:Turner, M.A, Yuan, C.-S, Borchardt, R.T, Hershfield, M.S, Smith, G.D, Howell, P.L.
Deposit date:1998-03-10
Release date:1999-04-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure determination of selenomethionyl S-adenosylhomocysteine hydrolase using data at a single wavelength.
Nat.Struct.Biol., 5, 1998
8J5K
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BU of 8j5k by Molmil
Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-04-23
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
5F61
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BU of 5f61 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-1
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
Authors:Ember, S.W, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2015-12-04
Release date:2017-02-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics.
Mol. Cancer Ther., 16, 2017
5Y5J
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BU of 5y5j by Molmil
Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the presence of NADH (resting state)
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
6LY4
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BU of 6ly4 by Molmil
The crystal structure of the BM3 mutant LG-23 in complex with testosterone
Descriptor: 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ...
Authors:Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T.
Deposit date:2020-02-13
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
3INV
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BU of 3inv by Molmil
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE
Descriptor: 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
Deposit date:2009-08-13
Release date:2010-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase
To be Published
6M5X
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BU of 6m5x by Molmil
A fungal glyceraldehyde-3-phosphate dehydrogenase with self-resistance to inhibitor heptelidic acid
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Yan, Y, Zang, X, Cooper, S.J, Lin, H, Zhou, J, Tang, Y.
Deposit date:2020-03-12
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05990934 Å)
Cite:Biosynthesis of the fungal glyceraldehyde-3-phosphate dehydrogenase inhibitor heptelidic acid and mechanism of self-resistance
Chem Sci, 11, 2020
7B74
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BU of 7b74 by Molmil
Chimeric Streptavidin With A Dimerization Domain For Artificial Transfer Hydrogenation
Descriptor: Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2020-12-09
Release date:2021-11-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation.
Faraday Disc.Chem.Soc, 2023

243531

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